1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide

C14H17N3O3S — CID 43079033

IUPAC1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESN#Cc1ccccc1CS(=O)(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H17N3O3S/c15-8-11-4-1-2-5-13(11)10-21(19,20)17-7-3-6-12(9-17)14(16)18/h1-2,4-5,12H,3,6-7,9-10H2,(H2,16,18)
InChIKeyWEIOCRWVFXXQTM-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.59
Rot. Bonds4

About 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide

1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide (PubChem CID 43079033) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide
PubChem CID43079033
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide
SMILESN#Cc1ccccc1CS(=O)(=O)N1CCCC(C(N)=O)C1
InChIInChI=1S/C14H17N3O3S/c15-8-11-4-1-2-5-13(11)10-21(19,20)17-7-3-6-12(9-17)14(16)18/h1-2,4-5,12H,3,6-7,9-10H2,(H2,16,18)
InChIKeyWEIOCRWVFXXQTM-UHFFFAOYSA-N
XLogP0.59
TPSA104.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3-ethylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 43430409
1-[(2-cyanophenyl)methylsulfonyl]piperidine-2-carboxamide
CID 60682897
2-[[3-(methylamino)pyrrolidin-1-yl]sulfonylmethyl]benzonitrile
CID 115300309
2-[(3-propan-2-ylpyrrolidin-1-yl)sulfonylmethyl]benzonitrile
CID 115752985
(3R)-1-[(4-chlorophenyl)methylsulfonyl]piperidine-3-carboxamide
CID 92641842
2-[(3-methylpiperazin-1-yl)sulfonylmethyl]benzonitrile
CID 65449385
2-[[(3S)-3-methylpiperazin-1-yl]sulfonylmethyl]benzonitrile
CID 104976491
2-(3,6-dihydro-2H-pyridin-1-ylsulfonylmethyl)benzonitrile
CID 103947033
2-[[4-(dimethylamino)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43586145
2-[(2-formylpiperidin-1-yl)sulfonylmethyl]benzonitrile
CID 63845865
2-[(3-ethyl-4-methylpiperazin-1-yl)sulfonylmethyl]benzonitrile
CID 63620460
2-[[4-(1-hydroxyethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 103834550

Frequently Asked Questions

What is the IUPAC name of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide?
The IUPAC name of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide (CID 43079033) is 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide is N#Cc1ccccc1CS(=O)(=O)N1CCCC(C(N)=O)C1.
What is the InChIKey of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide?
The InChIKey is WEIOCRWVFXXQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-8-11-4-1-2-5-13(11)10-21(19,20)17-7-3-6-12(9-17)14(16)18/h1-2,4-5,12H,3,6-7,9-10H2,(H2,16,18).
What are the key properties of 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide?
1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide has a molecular weight of 307.38 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-cyanophenyl)methylsulfonyl]piperidine-3-carboxamide is sourced from PubChem (CID 43079033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).